MAGNDATA arrow Collection of Magnetic Structures


MAGNDATA: A Collection of magnetic structures with portable cif-type files

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MAGNDATA: A collection of magnetic structures with portable cif-type files

A database of more than 400 published commensurate and incommensurate magnetic structures can be found here. The structures are described using magnetic symmetry (Shubnikov magnetic space groups) in the BNS setting for commensurate structures, and magnetic superspace groups for incommensurate structures. Symmetry is applied both for magnetic moments and atomic positions. The information provided is sufficient to define unambiguously the positions and magnetic moments (if any) of all atoms in the structure. A non-standard setting consistent with the setting of the paramagnetic phase is often used (this setting does not necessarily coincide with the one used in the original reference). A cif-like (.mcif) file of each entry can be downloaded. mcif files are supported by: ISOCIF, ISODISTORT, VESTA, Jmol, JANA2006 and FullProf. ISOCIF can be used to generate an alternative mcif file in a standard setting, as required by ISODISTORT. Vesta files for visualization of a single magnetic unit cell are also available. Any entry can be directly downloaded in StrConvert for editing, visualization, generation of various files, etc. The magnetic structure corresponding to each entry can also be 3D visualized online with Jmol.

Examples and further information can be found in the following papers, which can be used to cite this program:

1. Samuel V. Gallego, J. Manuel Perez-Mato, Luis Elcoro, Emre S. Tasci, Robert M. Hanson, Koichi Momma, Mois I. Aroyo and Gotzon Madariaga. J. Appl. Cryst. (2016), 49, 1750-1776

Link to the paper on Journal of Applied Crystallography.

2. Samuel V. Gallego, J. Manuel Perez-Mato, Luis Elcoro, Emre S. Tasci, Robert M. Hanson, Mois I. Aroyo and Gotzon Madariaga. J. Appl. Cryst. (2016), 49, 1941-1956

Link to the paper on Journal of Applied Crystallography.

See also the paper:

J.M. Perez-Mato, S.V. Gallego, E.S. Tasci, L. Elcoro, G. de la Flor, and M.I. Aroyo
Annu. Rev. Mater. Res. (2015), 45, 217-248


Link to the paper on Annual Review of Materials research.
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